5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid

C60H57N9O3 — CID 158733425

IUPAC5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5c(C(=O)O)cccc45)cnn3c2)cc1.C[C@@H]1CCC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5c(C(N)=O)cccc45)cnn3c2)cc1
InChIInChI=1S/C30H29N5O.C30H28N4O2/c1-19-6-3-7-20(2)35(19)23-14-12-21(13-15-23)22-16-32-30-28(17-33-34(30)18-22)26-10-4-9-25-24(26)8-5-11-27(25)29(31)36;1-19-6-3-7-20(2)34(19)23-14-12-21(13-15-23)22-16-31-29-28(17-32-33(29)18-22)26-10-4-9-25-24(26)8-5-11-27(25)30(35)36/h4-5,8-20H,3,6-7H2,1-2H3,(H2,31,36);4-5,8-20H,3,6-7H2,1-2H3,(H,35,36)/t2*19-,20+
InChIKeyILJLICNETFTIMH-WSENWHDKSA-N
MW952.18 g/mol
LogP12.76
Rot. Bonds8

About 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid

5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid (PubChem CID 158733425) has the molecular formula C60H57N9O3 and a molecular weight of 952.18 g/mol. Its IUPAC name is 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
PubChem CID158733425
Molecular FormulaC60H57N9O3
Molecular Weight952.18 g/mol
Exact Mass951.46
IUPAC Name5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5c(C(=O)O)cccc45)cnn3c2)cc1.C[C@@H]1CCC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5c(C(N)=O)cccc45)cnn3c2)cc1
InChIInChI=1S/C30H29N5O.C30H28N4O2/c1-19-6-3-7-20(2)35(19)23-14-12-21(13-15-23)22-16-32-30-28(17-33-34(30)18-22)26-10-4-9-25-24(26)8-5-11-27(25)29(31)36;1-19-6-3-7-20(2)34(19)23-14-12-21(13-15-23)22-16-31-29-28(17-32-33(29)18-22)26-10-4-9-25-24(26)8-5-11-27(25)30(35)36/h4-5,8-20H,3,6-7H2,1-2H3,(H2,31,36);4-5,8-20H,3,6-7H2,1-2H3,(H,35,36)/t2*19-,20+
InChIKeyILJLICNETFTIMH-WSENWHDKSA-N
XLogP12.76
TPSA147.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.18
LogP ≤ 512.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid with MolForge

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Related Compounds

4-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 130214229
5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 159256004
2-deuterio-4-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894258
ethane;5-[6-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 145001741
ethane;5-[6-[4-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 145001732
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711
5-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carbonitrile
CID 167058490
2-deuterio-5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894261
tert-butyl (4R)-5-[4-[3-(4-carbamoylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-2,5-diazabicyclo[2.2.0]hexane-2-carboxylate
CID 118670234
4-[6-[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894238
6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]-3-[4-(2H-tetrazol-5-yl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidine
CID 118664822
N-methyl-1-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethenamine
CID 167566973

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The IUPAC name of 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid (CID 158733425) is 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The canonical SMILES for 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid is C[C@@H]1CCC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5c(C(=O)O)cccc45)cnn3c2)cc1.C[C@@H]1CCC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5c(C(N)=O)cccc45)cnn3c2)cc1.
What is the InChIKey of 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The InChIKey is ILJLICNETFTIMH-WSENWHDKSA-N. The full InChI is InChI=1S/C30H29N5O.C30H28N4O2/c1-19-6-3-7-20(2)35(19)23-14-12-21(13-15-23)22-16-32-30-28(17-33-34(30)18-22)26-10-4-9-25-24(26)8-5-11-27(25)29(31)36;1-19-6-3-7-20(2)34(19)23-14-12-21(13-15-23)22-16-31-29-28(17-32-33(29)18-22)26-10-4-9-25-24(26)8-5-11-27(25)30(35)36/h4-5,8-20H,3,6-7H2,1-2H3,(H2,31,36);4-5,8-20H,3,6-7H2,1-2H3,(H,35,36)/t2*19-,20+.
What are the key properties of 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid has a molecular weight of 952.18 g/mol, XLogP of 12.76, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 158733425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).